* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    259     490
    1     0 S   NP   _N1_     1    29.01256    98.93115   -23.45711
    2     1 S   H    _HN1     2     1.02827    51.57424   166.94327
    3     1 S   H    _H1_     3     1.02790   105.90358   -92.58609
    4     1 S   H    _H2_     4     1.02948    58.60561     9.53976
    5     1 S   CT   _CA1     5     1.50112   141.75033    92.98258
    6     5 S   HC   _HA1     6     1.09573   105.18521   112.85263
    7     5 S   CO3  _C1_     7     1.53779   112.50338    -7.38387
    8     7 S   O2Z  _O11     8     1.26372   115.00893   -41.90090
    9     7 S   O2Z  _O12     9     1.26241   114.94669   137.24208
   10     5 S   CT   _CB1    10     1.53074   107.42069  -129.15269
   11    10 S   HC   HB11    11     1.09836   109.35236   -49.57614
   12    10 S   HC   HB12    12     1.09812   110.45392    67.02796
   13    10 S   CT   _CG1    13     1.53000   112.62246  -170.54003
   14    13 S   HC   HG11    14     1.09577   110.67288   -66.38563
   15    13 S   HC   HG12    15     1.09671   109.74646    52.85624
   16    13 S   C    _CD1    16     1.51799   112.15712   173.32503
   17    16 S   O    _OE1    17     1.22736   123.24748     8.93998
   18    16 S   N    _N2_    18     1.38655   111.71610  -171.05952
   19    18 S   H    _HN2    19     1.01565   118.93280     1.75011
   20    18 S   CT1  _CA2    20     1.46231   123.41407   177.23926
   21    20 S   HC   _HA2    21     1.09735   109.33906     6.20264
   22    20 S   C    _C2_    22     1.53626   108.63842  -109.33353
   23    22 S   O    _O2_    23     1.23070   122.29657  -147.34526
   24    20 S   CT   _CB2    32     1.53352   111.58263   128.24339
   25    24 S   HC   HB21    33     1.09585   110.03888    56.58265
   26    24 S   HC   HB22    34     1.09453   109.93286   175.69689
   27    22 S   N    _N3_    24     1.38330   113.78530    40.04823
   28    27 S   H    _HN3    25     1.01559   119.62136    -2.98295
   29    24 S   S    _SG2    35     1.82669   111.51077   -64.48064
   30    27 S   CT   _CA3    26     1.45291   123.25343   177.27416
   31    30 S   HC   HA31    27     1.09547   107.48604   -65.36148
   32    30 S   HC   HA32    28     1.09556   108.02271    51.09545
   33    29 S   CT   _C5_    36     1.84118    99.97996   169.57817
   34    33 S   HC   _H3_    37     1.09586   105.74761   -52.03702
   35    30 S   CO3  _C3_    29     1.52971   114.05519   173.11319
   36    35 S   O2Z  _O31    30     1.26379   116.07097    -0.67609
   37    35 S   O2Z  _O32    31     1.26425   114.41763   179.38643
   38    33 S   CM   _C6_    38     1.53771   108.96834  -167.57458
   39    33 S   CT   _C4_    83     1.53076   112.40675    62.99181
   40    39 S   HC   _H9_    84     1.09433   113.10787    48.11599
   41    39 S   HC   _H10    85     1.09568   110.72482   -72.16818
   42    39 S   HC   _H11    86     1.09604   110.74512   169.82595
   43    38 S   CMA  _C7_    39     1.36961   125.35641   -80.09196
   44    43 S   OM   _O38    40     1.26722   126.25288     0.88559
   45    38 S   CT   _C18    67     1.53437   112.90229    97.72400
   46    45 S   HC   _H20    68     1.09577   112.11184  -156.94647
   47    45 S   HC   _H21    69     1.09981   107.42478   -45.08874
   48    43 S   OS   _O33    41     1.41243   110.82524  -176.48420
   49    48 S   CT   _C8_    42     1.41633   117.86930  -147.37561
   50    49 S   HC   _H4_    43     1.09989   111.41441    28.36808
   51    49 S   CT   _C9_    44     1.52174   113.19070   -96.27059
   52    51 S   HC   _H12    45     1.09462   112.17746    80.17992
   53    51 S   HC   _H13    46     1.09405   111.70350   -38.76078
   54    51 S   CT   _C10    47     1.51796   104.16713  -159.29592
   55    54 S   HC   _H14    48     1.09326   113.53400   150.22312
   56    54 S   HC   _H15    49     1.09489   111.46318   -85.19829
   57    54 S   NP   _N4_    50     1.51038   105.16640    29.64041
   58    57 S   H    _H5_    51     1.02974   107.96875  -124.59280
   59    57 S   CT   _C21    52     1.51276   117.32746   113.69357
   60    59 S   HC   _H26    53     1.09337   107.39881   101.16802
   61    59 S   HC   _H27    54     1.09372   108.31314   -18.68486
   62    59 S   CT   _C20    55     1.52454   103.69298  -137.72372
   63    62 S   HC   _H8_    56     1.09439   112.33367   159.46335
   64    62 S   CT   _C12    57     1.53654   103.73378    36.79428
   65    64 S   HC   _H7_    58     1.09663   110.85764  -157.33368
   66    62 S   OH   _O37    81     1.42548   109.95421   -80.46043
   67    66 S   HO   _H28    82     0.97288   107.67565   -68.49379
   68    64 S   CT   _C13    59     1.54013   108.98343    83.09320
   69    68 S   HC   _H16    60     1.09347   111.63353   -63.51233
   70    68 S   HC   _H17    61     1.09763   110.29232    53.73673
   71    49 S   CT   _C11    79     1.52536   110.59378   147.97933
   72    71 S   HC   _H6_    80     1.09868   108.79743   -93.00158
   73    68 S   OS   _O34    62     1.43429   113.41411   175.62888
   74    73 S   CO4  _C14    63     1.36454   118.06947   -77.61456
   75    74 S   O    _O35    64     1.22544   125.32700    -1.44794
   76    74 S   CT   _C15    65     1.54007   110.44293   177.71047
   77    76 S   CM   _C16    66     1.53288   108.78768  -116.22568
   78    76 S   CT   _C19    73     1.53726   105.98234   118.77672
   79    78 S   HC   _H22    74     1.09747   110.45758   -58.18710
   80    78 S   HC   _H23    75     1.09640   111.37163  -175.77353
   81    78 S   HC   _H24    76     1.09569   112.38007    61.67717
   82    76 S   OH   _O36    77     1.42252   112.46619     5.07520
   83    82 S   HO   _H25    78     0.97247   107.98289   -45.44779
   84    77 S   CM   _C17    70     1.34709   123.05365  -121.95103
   85    84 S   HC   _H18    71     1.08338   122.89570    -1.99302
   86    84 S   HC   _H19    72     1.08593   121.24137   178.40529
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  14   5   2   1   1  10   3  11   4   3  10
  16   8  11   6   5  11   5   4  12   7  11   6   5  11   6  10
   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3   2
   1   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    77    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    76    77    45    46    47    84    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    77    45    46    47    71  
   48    49    45  
   46    47    84    85    86    78    82    48    74    76    77  
   47    84    76    77  
   84    76    77  
   49    50    51    52    53    54    57    64    71    72  
   50    51    52    53    54    55    56    57    58    59    62    64    65    68    71    72  
   51    52    53    54    57    64    71    72  
   52    53    54    55    56    57    58    59    64    71    72  
   53    54    55    56    57    71  
   54    55    56    57    71  
   55    56    57    58    59    60    61    62    64    71    72  
   56    57    58    59    71  
   57    58    59    71  
   58    59    60    61    62    63    64    65    68    71    72    66  
   59    60    61    62    64    71    72  
   60    61    62    63    64    65    68    71    72    66    67  
   61    62    63    64    71    66  
   62    63    64    71    66  
   63    64    65    68    69    70    73    71    72    66    67  
   64    65    68    71    66    67  
   65    68    69    70    73    74    71    72    66    67  
   68    69    70    73    71    72    66  
   67    68    71  
    0  
   69    70    73    74    75    76    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77    78    82  
   75    76    77    84    78    79    80    81    82    83  
   76    77    78    82  
   77    84    85    86    78    79    80    81    82    83  
   84    85    86    78    79    80    81    82    83  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    71   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   367.000  1.471
   57    58   434.000  1.010
   57    59   367.000  1.471
   57    71   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   317.000  1.510
   76    78   268.000  1.529
   76    82   320.000  1.410
   77    45   317.000  1.510
   77    84   549.000  1.340
   45    46   340.000  1.090
   45    47   340.000  1.090
   84    85   340.000  1.080
   84    86   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   71    72   340.000  1.090
   66    67   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    77    70.00000  110.12100
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    71    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    71    57    80.00000  111.20000
   49    71    64    58.35000  112.70000
   49    71    72    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    35.00000  109.50000
   54    57    59    75.00000  113.01200
   54    57    71    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    80.00000  111.20000
   57    71    64    80.00000  111.20000
   57    71    72    35.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    71    58.35000  112.70000
   62    66    67    55.00000  108.50000
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    73    50.00000  109.50000
   64    71    72    37.50000  110.70000
   68    64    65    37.50000  110.70000
   68    73    74    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    70.00000  109.06800
   74    76    78    63.00000  111.10000
   74    76    82    90.00000  109.61100
   76    74    75    80.00000  120.40000
   76    77    45    65.00000  117.92700
   76    77    84    70.00000  124.00000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    55.00000  108.50000
   77    45    46    35.00000  109.50000
   77    45    47    35.00000  109.50000
   77    84    85    35.00000  120.00000
   77    84    86    35.00000  120.00000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   84    77    45    70.00000  124.00000
   86    84    85    35.00000  117.00000
   78    76    77    70.00000  112.02700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    90.00000  110.39200
   82    76    78    50.00000  109.50000
   71    49    50    37.50000  110.70000
   71    49    51    58.35000  112.70000
   71    57    58    35.00000  109.50000
   71    57    59    75.00000  113.01200
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    77   0.09700  1.0 1.0
   33    38    45    77   0.15600 -1.0 2.0
   33    38    45    77  -0.50800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    77  -0.28300  1.0 1.0
   43    38    45    77   0.26700 -1.0 2.0
   43    38    45    77  -0.63300  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    71  -0.46850  1.0 1.0
   43    48    49    71   0.09300 -1.0 2.0
   43    48    49    71  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    71    57   1.69300  1.0 1.0
   48    49    71    57  -0.48450 -1.0 2.0
   48    49    71    64   0.62750  1.0 1.0
   48    49    71    64  -0.30950 -1.0 2.0
   48    49    71    64   0.27300  1.0 3.0
   48    49    71    72   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.36600  1.0 1.0
   49    51   -54    57  -0.11450 -1.0 2.0
   49    51   -54    57   0.24250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    71    57   0.19200  1.0 3.0
   50    49    71    64   0.15000  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   51    49   -71    57   1.36600  1.0 1.0
   51    49   -71    57  -0.11450 -1.0 2.0
   51    49   -71    57   0.24250  1.0 3.0
   51    49    71    64   0.56750  1.0 1.0
   51    49    71    64  -0.07550 -1.0 2.0
   51    49    71    64   0.20000  1.0 3.0
   51    49    71    72   0.15000  1.0 3.0
   51    54    57    58   0.17350  1.0 3.0
   51    54    57    59   0.47100  1.0 1.0
   51    54   -57    71   0.47100  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.19200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.19200  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    61   0.15000  1.0 3.0
   54    57    59    62   0.47100  1.0 1.0
   54    57   -71    49   0.47100  1.0 1.0
   54    57    71    64   0.47100  1.0 1.0
   54    57    71    72   0.15000  1.0 3.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    71   0.15000  1.0 3.0
   56    54    57    58   0.13050  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    71   0.15000  1.0 3.0
   57    59    62    63   0.19200  1.0 3.0
   57    59   -62    64   1.36600  1.0 1.0
   57    59   -62    64  -0.11450 -1.0 2.0
   57    59   -62    64   0.24250  1.0 3.0
   57    59    62    66   1.69300  1.0 1.0
   57    59    62    66  -0.48450 -1.0 2.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.17350  1.0 3.0
   58    57    71    49   0.17350  1.0 3.0
   58    57    71    64   0.17350  1.0 3.0
   58    57    71    72   0.13050  1.0 3.0
   59    57    71    49   0.47100  1.0 1.0
   59    57   -71    64   0.47100  1.0 1.0
   59    57    71    72   0.15000  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    68   0.56750  1.0 1.0
   59    62    64    68  -0.07550 -1.0 2.0
   59    62    64    68   0.20000  1.0 3.0
   59    62   -64    71   0.56750  1.0 1.0
   59    62   -64    71  -0.07550 -1.0 2.0
   59    62   -64    71   0.20000  1.0 3.0
   59    62    66    67  -0.11600  1.0 1.0
   59    62    66    67  -0.09450 -1.0 2.0
   59    62    66    67   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    66   0.23400  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64    68    70   0.15000  1.0 3.0
   62    64    68    73   0.62750  1.0 1.0
   62    64    68    73  -0.30950 -1.0 2.0
   62    64    68    73   0.27300  1.0 3.0
   62    64    71    49   0.56750  1.0 1.0
   62    64    71    49  -0.07550 -1.0 2.0
   62    64    71    49   0.20000  1.0 3.0
   62    64   -71    57   1.36600  1.0 1.0
   62    64   -71    57  -0.11450 -1.0 2.0
   62    64   -71    57   0.24250  1.0 3.0
   62    64    71    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67  -0.11600  1.0 1.0
   64    62    66    67  -0.09450 -1.0 2.0
   64    62    66    67   0.21250  1.0 3.0
   64    68    73    74  -0.25900  1.0 1.0
   64    68    73    74  -0.47000 -1.0 2.0
   64    68    73    74   0.11750  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   65    64    71    49   0.15000  1.0 3.0
   65    64    71    57   0.19200  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   68    64    71    49   0.56750  1.0 1.0
   68    64    71    49  -0.07550 -1.0 2.0
   68    64    71    49   0.20000  1.0 3.0
   68    64    71    57   1.36600  1.0 1.0
   68    64    71    57  -0.11450 -1.0 2.0
   68    64    71    57   0.24250  1.0 3.0
   68    64    71    72   0.15000  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    73    74   0.08050  1.0 3.0
   70    68    73    74   0.08050  1.0 3.0
   73    74    76    77   0.40000  1.0 3.0
   73    74    76    78   0.36750  1.0 3.0
   73    74    76    82   0.30750  1.0 1.0
   73    74    76    82   1.13850 -1.0 2.0
   73    74    76    82   0.38850  1.0 3.0
   74    76    77    45   0.17250  1.0 1.0
   74    76    77    45  -0.04100 -1.0 2.0
   74    76    77    45  -0.33850  1.0 3.0
   74    76    77    84  -0.51250  1.0 1.0
   74    76    77    84  -0.88800 -1.0 2.0
   74    76    77    84   0.08850  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83   0.91850  1.0 1.0
   74    76    82    83   0.57950  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   76    77    45    38   0.09700  1.0 1.0
   76    77    45    38   0.15600 -1.0 2.0
   76    77    45    38  -0.50800  1.0 3.0
   76    77    45    46   0.34800  1.0 3.0
   76    77    45    47   0.34800  1.0 3.0
   76    77    84    85   7.00000 -1.0 2.0
   76    77    84    86   7.00000 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83  -0.07800  1.0 1.0
   77    76    82    83  -0.21500 -1.0 2.0
   77    76    82    83  -0.03150  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    77    84    85   7.00000 -1.0 2.0
   45    77    84    86   7.00000 -1.0 2.0
   84    77    45    38  -0.28300  1.0 1.0
   84    77    45    38   0.26700 -1.0 2.0
   84    77    45    38  -0.63300  1.0 3.0
   84    77    45    46   0.00000  1.0 1.0
   84    77    45    47   0.00000  1.0 1.0
   78    76    77    45   0.46850  1.0 1.0
   78    76    77    45   0.08550 -1.0 2.0
   78    76    77    45   0.09800  1.0 3.0
   78    76    77    84   0.09850  1.0 1.0
   78    76    77    84   0.15250 -1.0 2.0
   78    76    77    84  -0.50650  1.0 3.0
   78    76    82    83  -0.11600  1.0 1.0
   78    76    82    83  -0.09450 -1.0 2.0
   78    76    82    83   0.21250  1.0 3.0
   82    76    77    45   0.18000  1.0 1.0
   82    76    77    45   0.16450 -1.0 2.0
   82    76    77    45   0.04450  1.0 3.0
   82    76    77    84   0.67800  1.0 1.0
   82    76    77    84   0.47050 -1.0 2.0
   82    76    77    84  -0.62500  1.0 3.0
   82    76    78    79   0.23400  1.0 3.0
   82    76    78    80   0.23400  1.0 3.0
   82    76    78    81   0.23400  1.0 3.0
   71    49    51    52   0.15000  1.0 3.0
   71    49    51    53   0.15000  1.0 3.0
   71    49   -51    54   0.56750  1.0 1.0
   71    49   -51    54  -0.07550 -1.0 2.0
   71    49   -51    54   0.20000  1.0 3.0
   71    57    59    60   0.15000  1.0 3.0
   71    57    59    61   0.15000  1.0 3.0
   71    57   -59    62   0.47100  1.0 1.0
   71    64    68    69   0.15000  1.0 3.0
   71    64    68    70   0.15000  1.0 3.0
   71    64    68    73   0.62750  1.0 1.0
   71    64    68    73  -0.30950 -1.0 2.0
   71    64    68    73   0.27300  1.0 3.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68   0.86500  1.0 1.0
   66    62    64    68  -0.17500 -1.0 2.0
   66    62    64    68   0.20800  1.0 3.0
   66    62    64    71   0.86500  1.0 1.0
   66    62    64    71  -0.17500 -1.0 2.0
   66    62    64    71   0.20800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   76    45    77    84   1.10000 -1.0 2.0
   85    86    84    77   1.10000 -1.0 2.0
END
